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Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site
ab initio path integral molecular dynamics enzyme hydrogen bonding nuclear quantum effects proton delocalization
2016/5/25
Enzymes use protein architectures to create highly specialized structural motifs that can greatly enhance the rates of complex chemical transformations. Here, we use experiments, combined with ab init...
Quantitative,Directional Measurement of Electric Field Heterogeneity Within an Enzyme Active Site
Quantitative Directional Measurement Electric Field Heterogeneity Enzyme Active Site
2016/5/25
Extensive structural studies of enzymes have revealed that biological catalysis occurs within sequestered active site crevices, where reacting substrates are surrounded by an anisotropic and chemicall...